Unconstrained Homooligomeric gamma-Peptides Show High Propensity for C-14 Helix Formation

Monosubstituted gamma(4)-residues (gamma(4)Leu, gamma(4)Ile, and gamma(4)Val) form helices even in short homooligomeric sequences. C-14 helix formation is established by X-ray diffraction in homooligomeric (gamma)(n) tetra-, hexa- and decapeptide sequences demonstrating the high propensity of gamma residues, with proteinogenic side chains, to adopt locally folded conformations.

Surface Degradation of Silicone Rubber Nanocomposites Due to DC Corona Discharge

Corona discharge is recognized as one of the mechanisms that can influence the surface hydrophobicity of Silicone Rubber (SR) because of the chemical changes that occur on its surface. In this study SR samples were exposed to positive and negative DC corona for 25 and 50 hours using a needle-plane electrode system. Hydrophobicity changes were monitored using a sessile drop contact angle measurement facility. The physical changes on the surface were studied using Scanning Electron Microscopy (SEM) and surface roughness measurements. The effect of positive dc corona was found to be different from that of negative dc corona. Significant surface degradation and loss of hydrophobicity was found in the case of negative dc corona exposed samples. Significant improvement in the above mentioned properties were obtained by adding small quantities of nSIL into the SR matrix.

Facile green fabrication of iron-doped cubic ZrO2 nanoparticles by Phyllanthus acidus: Structural, photocatalytic and photoluminescent properties

Cubic ZrO2: Fe3+ (0.5-4 mol%) nanoparticles (NPs) were synthesized via bin-inspired, inexpensive and simple route using Phyllanthus acidus as fuel. PXRD, SEM, TEM, FTIR, UV absorption and PL studies were performed to ascertain the formation of NPs. Rietveld analysis confirmed the formation of cubic structure. The influence of Fe3+ on the structure, morphology, UV absorption, PL emission and photocatalytic activity of NPs were investigated. The CIE chromaticity coordinates (0.36, 0.41) show that NPs could be a promising candidate for white LEDs. The influence of Fe3+ on ZrO2 matrix for photocatalytic degradation of AO7 was evaluated under UVA and Sunlight irradiation. The enhanced photocatalytic activity of spherical shaped ZrO2: Fe3+ (2 mol%) under UVA light was attributed to dopant concentration, crystallite size, narrow band gap, textural properties and capability for reducing the electron-hole pair recombination. The trend of inhibitory effect in the presence of different radical scavengers were followed the order SO42- > Cl- > C2H5OH > HCO3- > CO32-. The recycling catalytic ability of the ZrO2: Fe3+ (2 mol%) was also evaluated with a negligible decrease in the degradation efficiency even after the sixth successive run. (C) 2014 Elsevier B.V. All rights reserved.

Optical properties and CCN activity of aerosols in a high-altitude Himalayan environment: Results from RAWEX-GVAX

The seasonality and mutual dependence of aerosol optical properties and cloud condensation nuclei (CCN) activity under varying meteorological conditions at the high-altitude Nainital site (2km) in the Indo-Gangetic Plains were examined using nearly year-round measurements (June 2011 to March 2012) at the Atmospheric Radiation Measurement mobile facility as part of the Regional Aerosol Warming Experiment-Ganges Valley Aerosol Experiment of the Indian Space Research Organization and the U.S. Department of Energy. The results from collocated measurements provided enhanced aerosol scattering and absorption coefficients, CCN concentrations, and total condensation nuclei concentrations during the dry autumn and winter months. The CCN concentration (at a supersaturation of 0.46) was higher during the periods of high aerosol absorption (single scattering albedo (SSA)<0.80) than during the periods of high aerosol scattering (SSA>0.85), indicating that the aerosol composition seasonally changes and influences the CCN activity. The monthly mean CCN activation ratio (at a supersaturation of 0.46) was highest (>0.7) in late autumn (November); this finding is attributed to the contribution of biomass-burning aerosols to CCN formation at high supersaturation conditions.

Unusually Short Chalcogen Bonds Involving Organoselenium: Insights into the Se-N Bond Cleavage Mechanism of the Antioxidant Ebselen and Analogues

Structural studies on the polymorphs of the organoselenium antioxidant ebselen and its derivative show the potential of organic selenium to form unusually short Se center dot center dot center dot O chalcogen bonds that lead to conserved supramolecular recognition units. Se center dot center dot center dot O interactions observed in these polymorphs are the shortest such chalcogen bonds known for organoselenium compounds. The FTIR spectral evolution characteristics of this interaction from solution state to solid crystalline state further validates the robustness of this class of supramolecular recognition units. The strength and electronic nature of the Se center dot center dot center dot O chalcogen bonds were explored using high-resolution X-ray charge density analysis and atons-in-molecules (AIM) theoretical analysis. A charge density study unravels the strong electrostatic nature of Se center dot center dot center dot O chalcogen bonding and soft-metal-like behavior of organoselenium. An analysis of the charge density around Se-N and Se-C covalent bonds in conjunction with the Se center dot center dot center dot O chalcogen bonding modes in ebselen and its analogues provides insights into the mechanism of drug action in this class of organoselenium antioxidants. The potential role of the intermolecular Se center dot center dot center dot O chalcogen bonding in forming the intermediate supramolecular assembly that leads to the bond cleavage mechanism has been proposed in terms of electron density topological parameters in a series of molecular complexes of ebselen with reactive oxygen species (ROS).

Status of the crystallography beamlines at Elettra

Elettra is one of the first 3rd-generation storage rings, recently upgraded to routinely operate in top-up mode at both 2.0 and 2.4 GeV. The facility hosts four dedicated beamlines for crystallography, two open to the users and two under construction, and expected to be ready for public use in 2015. In service since 1994, XRD1 is a general-purpose diffraction beamline. The light source for this wide (4-21 keV) energy range beamline is a permanent magnet wiggler. XRD1 covers experiments ranging from grazing incidence X-ray diffraction to macromolecular crystallography, from industrial applications of powder diffraction to X-ray phasing with long wavelengths. The bending magnet powder diffraction beamline MCX has been open to users since 2009, with a focus on microstructural investigations and studies under non-ambient conditions. A superconducting wiggler delivers a high photon flux to a new fully automated beamline dedicated to macromolecular crystallography and to a branch beamline hosting a high-pressure powder X-ray diffraction station (both currently under construction). Users of the latter experimental station will have access to a specialized sample preparation laboratory, shared with the SISSI infrared beamline. A high throughput crystallization platform equipped with an imaging system for the remote viewing, evaluation and scoring of the macromolecular crystallization experiments has also been established and is open to the user community.

Analysis on the atomization characteristics of aviation biofuel discharging from simplex swirl atomizer

The atomization characteristics of aviation biofuel discharging from a simplex swirl atomizer into quiescent atmospheric air are studied. The aviation biofuel is a mixture of 90% commercially available camelina-derived biofuel and 10% VonSol-53 (aromatics). The experiments are conducted in a spray test facility at varying fuel flow rate conditions. The measured characteristics include atomizer flow number, spray cone angle, breakup length of liquid sheet, wavelength of undulations on liquid sheet, and spray droplet size. The characteristics of biofuel sheet breakup are deduced from the captured images of biofuel spray. The measurements of spray droplet size distribution are obtained using Spraytec. The experimentally measured characteristics of the biofuel sheet breakup are compared with the predictions obtained from the liquid film breakup model proposed by Senecal et al. (1999). The measurements of wavelength and breakup length of the biofuel sheet discharging from the simplex swirl atomizer agree well with the model predictions. The model-predicted droplet size for the biofuel spray is significantly higher than the experimentally measured Sauter mean diameter (SMD). The spray droplets formed from the liquid sheet breakup undergo secondary atomization until 35-45 mm from the atomizer exit and thereafter the SMD increases downstream due to the combined effect of fuel evaporation and droplet coalescence. A good comparison is observed between the experimentally measured SMD of the biofuel spray and the predictions obtained using the empirical correlation reported in literature for sprays discharging from simplex swirl atomizers. (C) 2015 Elsevier Ltd. All rights reserved.

Atomization Characteristics of Camelina-Based Alternative Aviation Fuels Discharging From Dual-Orifice Injector

The atomization characteristics of blends of bioderived camelina hydrogenated renewable jet (HRJ) alternative fuel with conventional aviation kerosene (Jet A-1) discharging into ambient atmospheric air from a dual-orifice atomizer used in aircraft engines are described. The spray tests are conducted in a spray test facility at six different test flow conditions to compare the atomization of alternative fuels with that of Jet A-1. The fuel sprays are characterized in terms of fuel discharge, spray cone angle, drop size distribution, and spray patternation. The measurements of spray drop size distribution are obtained using laser diffraction based Spraytec equipment. The characteristics of fuel discharge and cone angle of alternative fuel sprays do not show any changes from that of Jet A-1 sprays. The characteristics of spray drop size, evaluated in terms of the variation of mean drop size along the spray axis, for the alternative fuel sprays remain unaffected by the variation in fuel properties between the alternative fuels and Jet A-1. The measurements on spray patternation, obtained using a mechanical patternator at a distance 5.1 cm from the atomizer exit, show an enhanced fuel concentration in the vicinity of spray axis region for the alternative fuel sprays discharging from the dual-orifice atomizer.

Crystallographic studies of the extracytoplasmic function sigma factor sigma(J) from Mycobacterium tuberculosis

Mycobacterium tuberculosis has multiple sigma factors which enable the bacterium to reprogram its transcriptional machinery under diverse environmental conditions. sigma(J), an extracytoplasmic function sigma factor, is upregulated in late stationary phase cultures and during human macrophage infection. sigma(J) governs the cellular response to hydrogen peroxide-mediated oxidative stress. sigma(J) differs from other canonical sigma factors owing to the presence of a SnoaL_2 domain at the C-terminus. sigma(J) crystals belonged to the tetragonal space group I422, with unit-cell parameters a = b = 133.85, c = 75.08 angstrom. Diffraction data were collected to 2.16 angstrom resolution on the BM14 beamline at the European Synchrotron Radiation Facility (ESRF).

Fly ash cenospheres as reinforcement in different polymer composites - a comparative study of physical and mechanical properties

The work reports the preparation of fly ash cenospheres bearing polymer composites, using various polymer matrix materials namely, low density polyethylene, high density polyethylene, polystyrene and polymethylmethacrylate followed by evaluation of properties. The composites are synthesized by including about 18% by weight fly ash cenospheres, into various polymer matrices using brabender facility in the temperature range 120-160 degrees C and at a mixing pressure of 50 MPa. Subsequently, they are cast into sheets through compression moulding. The test samples, made from the sheets, are characterized for physical as well as mechanical properties such as density, hardness, compression strength, impact response, wear and friction. The investigation reveals that the addition of fly ash cenospheres to various polymer matrices results in reduction of density. Further, improvements in the slide wear resistance and decrease in the co-efficient of friction values are noticed. As for interpreting the slide wear data, recourse to examination under scanning electron microscope is made in this paper. As regards the mechanical properties, hardness increases while the compression strength and impact energy decreases with inclusion of cenospheres in all the four types of samples investigated.

A Full Body Steerable Wind Display for a Locomotion Interface

This paper presents the Treadport Active Wind Tunnel (TPAWT)-a full-body immersive virtual environment for the Treadport locomotion interface designed for generating wind on a user from any frontal direction at speeds up to 20 kph. The goal is to simulate the experience of realistic wind while walking in an outdoor virtual environment. A recirculating-type wind tunnel was created around the pre-existing Treadport installation by adding a large fan, ducting, and enclosure walls. Two sheets of air in a non-intrusive design flow along the side screens of the back-projection CAVE-like visual display, where they impinge and mix at the front screen to redirect towards the user in a full-body cross-section. By varying the flow conditions of the air sheets, the direction and speed of wind at the user are controlled. Design challenges to fit the wind tunnel in the pre-existing facility, and to manage turbulence to achieve stable and steerable flow, were overcome. The controller performance for wind speed and direction is demonstrated experimentally.